Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.31 |
| ▸ | ITGAV | P06756 | 1/20 | 0.31 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.31 |
| ▸ | TLR4 | O00206 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9971341 | 0.80 | KDM4E (0.34) | ALDH1A1ESR2TLR4NOS3NOS1 | |
| SCHEMBL21734166 | 0.77 | TSHR (0.34) | TSHRPLA2G7ITGB3ITGB1ITGAV | |
| SCHEMBL3841912 | 0.77 | TSHR (0.34) | TSHRPLA2G7ITGB3ITGB1ITGAV | |
| SCHEMBL12983433 | 0.77 | ITGB3 (0.40) | TSHRCYP2C19PLA2G7ITGB3ITGB1 | |
| SCHEMBL1931711 | 0.77 | — | — | |
| SCHEMBL6712596 | 0.77 | GLA (0.37) | TSHRALDH1A1GAAUSP2 | |
| SCHEMBL7312356 | 0.72 | ESR2 (0.36) | ALDH1A1ESR2 | |
| SCHEMBL3836552 | 0.72 | HK2 (0.44) | TSHRPLA2G7 | |
| SCHEMBL13564701 | 0.72 | TSHR (0.31) | TSHRPLA2G7 | |
| SCHEMBL1773442 | 0.72 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112430183-B | Preparation method of axial chiral 4-substituted cyclohexylidene aryl acetate compound | 复旦大学 | 2021-08-20 | — | — | CN | disclosed |
| CN-112430183-A | Preparation method of axial chiral 4-substituted cyclohexylidene aryl acetate compound | 复旦大学 | 2021-03-02 | — | — | CN | disclosed |
| CN-105050663-B | Use of cosmetically and dermatologically safe substituted michael acceptors to prevent, reduce or prevent human skin tyrosinase activity and/or to lighten skin | 拜尔斯道夫股份有限公司 | 2018-07-10 | — | — | CN | disclosed |
| WO-2017001408-A1 | PYRIDAZINONES AS HERBICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2017-01-05 | — | — | WO | disclosed |
| WO-2012083145-A1 | GLUCOSAMINE DERIVATIVES | GLAXO WELLCOME MANUFACTURING PTE LTD (SG) | 2012-06-21 | — | — | WO | disclosed |
| EP-1285914-B1 | Nr1h4 nuclear receptor binding compounds | PHENEX PHARMACEUTICALS AG (DE) | 2007-12-19 | — | — | EP | disclosed |
| EP-0780386-B1 | Matrix metalloprotease inhibitors | HOFFMANN LA ROCHE (CH) | 2002-10-02 | — | — | EP | disclosed |
| US-5932595-A | ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT | SYNTEX (U.S.A.) INC. (US) | 1999-08-03 | — | — | US | disclosed |
| EP-0780386-A1 | Matrix metalloprotease inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-25 | — | — | EP | disclosed |